Bioisis

"Botulinum Neurotoxin A (BoNT/Ai) at pH=8.0"

Experimental SAS Curve

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Experimental Mass

122,700 Da

Experimental Details for BID:  BoNT8P
Experiment ID: 91
Collected at: SSRL BL4-2
Contributors: Matsui, T ,  Gu , S ,  Lam, K ,  Carter, LG ,  Rummel, A ,  Mathews, II ,  Jin, R
SAXS profile of Botulinum Neurotoxin A (BoNT/Ai) with a heavy-chain-only antibody (VHH-F12) at pH=8.0.
15images were taken with 1sec exposure. Protein concentration range was 0.51-6.1mg/ml. The program PRIMUS was employed to investigate concentration-dependent intermolecular interactions and to merge curves. The resulting SAXS prifile was not calibrated to absolute scale.

Electron Pair Distribution

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       Dmax → 150 Å


Guinier Plot

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     Guinier Rg → 43.3 Å

Real Space Rg → 44.67 Å

The Guinier plot is used to estimate the radius of gyration, Rg, which is taken from the slope of a line observed at low scattering angles (typically in the range where q* Rg < 1.3). This should be in reasonable agreement with the real space Rg.


Kratky Plot

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The Kratky plot can be used to visually assess the degree of "unfoldedness" of a protein or RNA sample. The plot of a well-behaved folded protein approaches the baseline at high q values creating a parabolic shape.


PDB Model fit to SAXS Data

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The red line is the calculated SAXS profile from a PDB model scaled to the experimental SAXS curve (cyan). The two curves agree with a Chi2 of 2.2.


Additional Experimental Details
Title

Botulinum Neurotoxin A (BoNT/Ai) at pH=8.0

Description

SAXS profile of Botulinum Neurotoxin A (BoNT/Ai) with a heavy-chain-only antibody (VHH-F12) at pH=8.0.

Publication

Contributors

Matsui, T ,  Gu , S ,  Lam, K ,  Carter, LG ,  Rummel, A ,  Mathews, II ,  Jin, R

Genomics and Proteomics

The experiment is composed of 2 genes/ORFs

Abbreviated name: A chain

Annotation: BoNT/Ai

PFVNKQFNYK DPVNGVDIAY IKIPNVGQMQ PVKAFKIHNK IWVIPERDTF TNPEEGDLNP PPEAKQVPVS YYDSTYLSTD NEKDNYLKGV TKLFERIYST DLGRMLLTSI VRGIPFWGGS TIDTELKVID TNCINVIQPD GSYRSEELNL VIIGPSADII QFECKSFGHE VLNLTRNGYG STQYIRFSPD FTFGFEESLE VDTNPLLGAG KFATDPAVTL AHELIHAGHR LYGIAINPNR VFKVNTNAYY EMSGLEVSFE ELRTFGGHDA KFIDSLQENE FRLYYYNKFK DIASTLNKAK SIVGTTASLQ YMKNVFKEKY LLSEDTSGKF SVDKLKFDKL YKMLTEIYTE DNFVKFFKVL NRKTYLNFDK AVFKINIVPK VNYTIYDGFN LRNTNLAANF NGQNTEINNM NFTKLKNFTG LFEFYKLLCV RGNDLCIKVN NWDLFFSPSE DNFTNDLNKG EEITSDTNIE AAEENISLDL IQQYYLTFNF DNEPENISIE NLSSDIIGQL ELMPNIERFP NGEKYELDKY TMFHYLRAQE FEHGKSRIAL TNSVNEALLN PSRVYTFFSS DYVKKVNKAT EAAMFLGWVE QLVYDFTDET SEVSTTDKIA DITIIIPYIG PALNIGNMLY KDDFVGALIF SGAVILLEFI PEIAIPVLGT FALVSYIANK VLTVQTIDNA LSKRNEKWDE VYKYIVTNWL AKVNTQIDLI RKKMKEALEN QAEATKAIIN YQYNQYTEEE KNNINFNIDD LSSKLNESIN KAMININKFL NQCSVSYLMN SMIPYGVKRL EDFDASLKDA LLKYIYDNRG TLIGQVDRLK DKVNNTLSTD IPFQLSKYVD NQRLLSTFTE YIKNIINTSI LNLRYESNHL IDLSRYASKI NIGSKVNFDP IDKNQIQLFN LESSKIEVIL KNAIVYNSMY ENFSTSFWIR IPKYFNSISL NNEYTIINCM ENNSGWKVSL NYGEIIWTLQ DTQEIKQRVV FKYSQMINIS DYINRWIFVT ITNNRLNNSK IYINGRLIDQ KPISNLGNIH ASNNIMFKLD GCRDTHRYIW IKYFNLFDKE LNEKEIKDLY DNQSNSGILK DFWGDYLQYD KPYYMLNLYD PNKYIDVNNV GIRGYMYLKG PRGNVMTTNI YLNSSLYMGT KFIIKKYASG NKDNIVRNND RVYINVVVKN KEYRLATNAS QAGVEKILSA LEIPDVGNLS QVVVMKSKND QGITNKCKMN LQDNNGNDIG FIGFHQFNNI AKLVASNWYN RQIERSSRTL GCSWEFIPVD DGWGERP
categoryamino acid composition(%)
HydrophobicI(9.2) V(5.6) L(8.6) M(1.9) A(4.1) G(4.9) P(3.0)
AromaticF(5.5) W(1.2) Y(5.7)
HydrophilicR(3.3) K(7.7) E(6.0) D(6.0) Q(3.1) N(10.8) H(0.9) S(6.3) T(5.4) C(0.7)

Abbreviated name: C chain

Annotation: VHH

QVQLVESGGG LVQPGGSLRL SCAASGFTLG SRYMSWVRQA PGEGFEWVSS IEPSGTAWDG DSAKGRFTTS RDDAKNTLYL QMSNLQPEDT GVYYCATGYR TDTRIPGGSW GQGTQVTV
categoryamino acid composition(%)
HydrophobicI(1.7) V(6.8) L(6.8) M(1.7) A(5.9) G(15.3) P(4.2)
AromaticF(2.5) W(3.4) Y(4.2)
HydrophilicR(5.9) K(1.7) E(4.2) D(5.1) Q(6.8) N(1.7) H(0.0) S(11.0) T(9.3) C(1.7)